6-[dichloro-[3-(dimethylamino)propylcarbamoyl]-pentahydroxy-(methylamino)-hexaoxo-[3,4,5-trihydroxy-6-(hydroxymethyl)-2,3,4,5,6-pentamethyl-tetrahydropyran-2-yl]oxy-[?]yl]oxy-3,4,4-trihydroxy-2,3,6-trimethyl-5-(10-methylundecanoylamino)tetrahydropyran-2-carboxylic acid

Structural Information

Molecular Formula

C₉₆H₁₁₆Cl₂N₁₀O₂₉

SMILES

CC(C)CCCCCCCCC(=O)NC1C(OC(C(C1(O)O)(C)O)(C)C(=O)O)(C)OC2=C3C=C4C=C2OC5=C(C=C(C=C5)C(C6C(=O)NC(C7=C(C(=CC(=C7)O)OC8(C(C(C(C(O8)(C)CO)(C)O)(C)O)(C)O)C)C9=C(C=CC(=C9)C(C(=O)N6)NC(=O)C4NC(=O)C1C2=C(C(=CC(=C2)OC2=C(C=CC(=C2)C(C(=O)NC(CC2=CC=C(O3)C=C2)C(=O)N1)NC)O)O)Cl)O)C(=O)NCCCN(C)C)O)Cl

InChI

InChI=1S/C96H116Cl2N10O29/c1-46(2)21-18-16-14-15-17-19-22-68(114)102-86-90(5,137-89(4,87(123)124)92(7,126)96(86,129)130)135-78-66-39-51-40-67(78)133-63-32-27-50(37-58(63)97)77(115)76-85(122)106-74(80(117)100-33-20-34-108(12)13)56-41-52(110)42-65(134-95(10)94(9,128)93(8,127)91(6,125)88(3,45-109)136-95)69(56)55-36-48(25-30-60(55)111)72(82(119)107-76)103-83(120)73(51)104-84(121)75-57-43-54(44-62(113)70(57)98)132-64-38-49(26-31-61(64)112)71(99-11)81(118)101-59(79(116)105-75)35-47-23-28-53(131-66)29-24-47/h23-32,36-44,46,59,71-77,86,99,109-113,115,125-130H,14-22,33-35,45H2,1-13H3,(H,100,117)(H,101,118)(H,102,114)(H,103,120)(H,104,121)(H,105,116)(H,106,122)(H,107,119)(H,123,124)

InChIKey

XXSFZJCMIWMOIZ-UHFFFAOYSA-N

Compound name

6-[[5,32-dichloro-52-[3-(dimethylamino)propylcarbamoyl]-2,26,31,44,49-pentahydroxy-22-(methylamino)-21,35,38,54,56,59-hexaoxo-47-[3,4,5-trihydroxy-6-(hydroxymethyl)-2,3,4,5,6-pentamethyloxan-2-yl]oxy-7,13,28-trioxa-20,36,39,53,55,58-hexazaundecacyclo[38.14.2.23,6.214,17.219,34.18,12.123,27.129,33.141,45.010,37.046,51]hexahexaconta-3,5,8,10,12(64),14(63),15,17(62),23(61),24,26,29(60),30,32,41(57),42,44,46(51),47,49,65-henicosaen-64-yl]oxy]-3,4,4-trihydroxy-2,3,6-trimethyl-5-(10-methylundecanoylamino)oxane-2-carboxylic acid

Related CIDs

• CID 16204761